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Acibenzolar-s-methyl

fo-57f7414d3e8a0fee

Identity

Type
Neutral molecule
CAS
135158-54-2
EC
420-050-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
61 across every transformer

Structure

Structure diagram for Acibenzolar-s-methyl

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UELITFHSCLAHKR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
IUPAC name chemrof:IUPAC_name S-methyl 1,2,3-benzothiadiazole-7-carbothioate
Molecular formula chemrof:molecular_formula C8H6N2OS2
Molecular mass chemrof:molecular_mass 210.283
Monoisotopic mass chemrof:monoisotopic_mass 209.99215, 209.992155
SMILES string chemrof:smiles_string CSC(=O)c1cccc2nnsc12

Known URLs

35

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
agr agr:IND44133747 enrich_references.chebi_xrefs
agr agr:IND44133762 enrich_references.chebi_xrefs
agr agr:IND44136158 enrich_references.chebi_xrefs
agr agr:IND44148919 enrich_references.chebi_xrefs
agr agr:IND44438913 enrich_references.chebi_xrefs
agr agr:IND44452869 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=135158-54-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73178 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.876 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.125.890 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1032519 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL425055 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BCW6119347 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J737.150K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66292 enrich_references.pubchem_identifier_url
pesticides pesticides:acibenzolar-s-methyl enrich_references.chebi_xrefs
ppdb ppdb:13 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86412 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11838287 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19265983 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20377227 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20621100 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20652832 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20730989 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21726155 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22456950 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22595304 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22928310 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25779462 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26449612 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27116913 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27733862 enrich_references.chebi_xrefs
reaxys reaxys:8055445 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q341312 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Acibenzolar-S-methyl enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
64b1f548-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad8c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2f24e792-e5a3-4581-9241-36708dd09fae Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad8b-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ad8d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad8a-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad88-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9270-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
650334cf154d630b797e40526c8d316a9311e69b Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-ad89-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad8f-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9271-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad8e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
cff10dc2f349e5c55abb84024d385c61cf0639cd Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-926f-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (61 changes)

Open the changes page

Full record

Flow object JSON 
{
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